5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

C19H23ClN2O2S — CID 16837665

IUPAC5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C19H23ClN2O2S/c1-14-5-7-17(20)13-19(14)25(23,24)21-10-9-15-6-8-18-16(12-15)4-3-11-22(18)2/h5-8,12-13,21H,3-4,9-11H2,1-2H3
InChIKeyZPZVVYJWGRHOCF-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.55
Rot. Bonds5

About 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 16837665) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID16837665
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C19H23ClN2O2S/c1-14-5-7-17(20)13-19(14)25(23,24)21-10-9-15-6-8-18-16(12-15)4-3-11-22(18)2/h5-8,12-13,21H,3-4,9-11H2,1-2H3
InChIKeyZPZVVYJWGRHOCF-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (CID 16837665) is 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is ZPZVVYJWGRHOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-14-5-7-17(20)13-19(14)25(23,24)21-10-9-15-6-8-18-16(12-15)4-3-11-22(18)2/h5-8,12-13,21H,3-4,9-11H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 378.93 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16837665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).